2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide

C18H25N3O2 — CID 3665798

IUPAC2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCCCc2ccccc2)co1
InChIInChI=1S/C18H25N3O2/c1-2-3-11-15(19)18-21-16(13-23-18)17(22)20-12-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,15H,2-3,7,10-12,19H2,1H3,(H,20,22)
InChIKeyDWYCJQPJTWQWQV-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.23
Rot. Bonds9

About 2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide

2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 3665798) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID3665798
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NCCCc2ccccc2)co1
InChIInChI=1S/C18H25N3O2/c1-2-3-11-15(19)18-21-16(13-23-18)17(22)20-12-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,15H,2-3,7,10-12,19H2,1H3,(H,20,22)
InChIKeyDWYCJQPJTWQWQV-UHFFFAOYSA-N
XLogP3.23
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
2-(1-aminopentyl)-N-(2-phenoxyethyl)-1,3-oxazole-4-carboxamide
CID 3731660
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
CID 3833643
2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3861776
2-(1-aminopentyl)-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide
CID 5160527
2-(1-amino-3-methylbutyl)-N-butyl-1,3-oxazole-4-carboxamide
CID 3865890
2-(1-aminobutyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 4996645
2-(1-amino-3-methylbutyl)-N-decyl-1,3-oxazole-4-carboxamide
CID 3866536
2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3270325
2-[(1S)-1-amino-5-(phenylmethoxycarbonylamino)pentyl]-1,3-oxazole-4-carboxylic acid
CID 101068216

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide (CID 3665798) is 2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide is CCCCC(N)c1nc(C(=O)NCCCc2ccccc2)co1.
What is the InChIKey of 2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is DWYCJQPJTWQWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-3-11-15(19)18-21-16(13-23-18)17(22)20-12-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,15H,2-3,7,10-12,19H2,1H3,(H,20,22).
What are the key properties of 2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide?
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3665798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).